1-(3-bromo-4-methoxyphenyl)-2-(4-iodophenyl)ethanol

C15H14BrIO2 — CID 65476638

IUPAC1-(3-bromo-4-methoxyphenyl)-2-(4-iodophenyl)ethanol
SMILESCOc1ccc(C(O)Cc2ccc(I)cc2)cc1Br
InChIInChI=1S/C15H14BrIO2/c1-19-15-7-4-11(9-13(15)16)14(18)8-10-2-5-12(17)6-3-10/h2-7,9,14,18H,8H2,1H3
InChIKeyOEWHTMUUPCLDGV-UHFFFAOYSA-N
MW433.08 g/mol
LogP4.34
Rot. Bonds4

About 1-(3-bromo-4-methoxyphenyl)-2-(4-iodophenyl)ethanol

1-(3-bromo-4-methoxyphenyl)-2-(4-iodophenyl)ethanol (PubChem CID 65476638) has the molecular formula C15H14BrIO2 and a molecular weight of 433.08 g/mol. Its IUPAC name is 1-(3-bromo-4-methoxyphenyl)-2-(4-iodophenyl)ethanol.

Molecular Properties

Compound Name1-(3-bromo-4-methoxyphenyl)-2-(4-iodophenyl)ethanol
PubChem CID65476638
Molecular FormulaC15H14BrIO2
Molecular Weight433.08 g/mol
Exact Mass431.92
IUPAC Name1-(3-bromo-4-methoxyphenyl)-2-(4-iodophenyl)ethanol
SMILESCOc1ccc(C(O)Cc2ccc(I)cc2)cc1Br
InChIInChI=1S/C15H14BrIO2/c1-19-15-7-4-11(9-13(15)16)14(18)8-10-2-5-12(17)6-3-10/h2-7,9,14,18H,8H2,1H3
InChIKeyOEWHTMUUPCLDGV-UHFFFAOYSA-N
XLogP4.34
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.08
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 1-(3-bromo-4-methoxyphenyl)-2-(4-iodophenyl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-bromo-4-methoxyphenyl)-1-(3-chloro-4-iodophenyl)ethanol
CID 103216677
(1S)-1-(3-bromo-4-methoxyphenyl)ethane-1,2-diol
CID 11390954
1-(3-bromo-4-ethoxyphenyl)-2-(4-methoxyphenyl)ethanol
CID 104661097
(1R)-1-(3-bromo-4-methoxyphenyl)butan-1-ol
CID 93189097
2-(4-bromophenyl)-1-(4-methoxy-3-methylphenyl)ethanol
CID 61081846
1-(4-iodophenyl)-2-(4-methoxyphenyl)ethanol
CID 55149346
2-(3-bromo-4-methoxyphenyl)-1-[4-(dimethylamino)phenyl]ethanol
CID 63895968
1-(3-bromo-4-methoxyphenyl)-3-sulfanylpropan-1-ol
CID 116830964
1-(3-bromo-4-methoxyphenyl)-2-(2-fluorophenyl)ethanol
CID 61100130
1-(3-bromo-4-methoxyphenyl)-2-(1-ethylpyrazol-4-yl)ethanol
CID 63894409
2-bromo-4-[1-bromo-2-(3,4-dimethylphenyl)ethyl]-1-methoxybenzene
CID 63435707
1-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)ethanol
CID 60797865

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methoxyphenyl)-2-(4-iodophenyl)ethanol?
The IUPAC name of 1-(3-bromo-4-methoxyphenyl)-2-(4-iodophenyl)ethanol (CID 65476638) is 1-(3-bromo-4-methoxyphenyl)-2-(4-iodophenyl)ethanol.
What is the SMILES notation for 1-(3-bromo-4-methoxyphenyl)-2-(4-iodophenyl)ethanol?
The canonical SMILES for 1-(3-bromo-4-methoxyphenyl)-2-(4-iodophenyl)ethanol is COc1ccc(C(O)Cc2ccc(I)cc2)cc1Br.
What is the InChIKey of 1-(3-bromo-4-methoxyphenyl)-2-(4-iodophenyl)ethanol?
The InChIKey is OEWHTMUUPCLDGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrIO2/c1-19-15-7-4-11(9-13(15)16)14(18)8-10-2-5-12(17)6-3-10/h2-7,9,14,18H,8H2,1H3.
What are the key properties of 1-(3-bromo-4-methoxyphenyl)-2-(4-iodophenyl)ethanol?
1-(3-bromo-4-methoxyphenyl)-2-(4-iodophenyl)ethanol has a molecular weight of 433.08 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-methoxyphenyl)-2-(4-iodophenyl)ethanol is sourced from PubChem (CID 65476638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).